| Properties | Image |
| MNX_ID | MNXM1128004 |
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| reference | chebi:166042 |
| formula | C16H23N3O5 |
| global charge | 0 |
| mol weight | 337.376 |
| InChIKey | NWEGIYMHTZXVBP-JSGCOSHPSA-N |
| InChI | InChI=1S/C16H23N3O5/c1-9(2)14(16(24)18-8-13(21)22)19-15(23)12(17)7-10-3-5-11(20)6-4-10/h3-6,9,12,14,20H,7-8,17H2,1-2H3,(H,18,24)(H,19,23)(H,21,22)/t12-,14-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H23N3O5/c1-9(2)14(16(24)18-8-13(21)22)19-15(23)12(17)7-10-3-5-11(20)6-4-10/h3-6,9,12,14,20H,7-8,17H2,1-2H3,(H,18,24)(H,19,23)(H,21,22)/t12-,14-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[C@@H:14]([C:16](=[N:18][CH2:8][C:13](=[O:21])[OH:22])[OH:24])[N:19]=[C:15]([C@H:12]([CH2:7][C:10]1=[CH:4][CH:6]=[C:11]([OH:20])[CH:5]=[CH:3]1)[NH2:17])[OH:23] |
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